phenyl N-methylbenzenecarboximidoselenoate

C14H13NSe — CID 12557552

IUPACphenyl N-methylbenzenecarboximidoselenoate
SMILESC/N=C(/[Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NSe/c1-15-14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3/b15-14+
InChIKeySFXJWNANUJFJAZ-CCEZHUSRSA-N
MW274.23 g/mol
LogP2.09
Rot. Bonds3

About phenyl N-methylbenzenecarboximidoselenoate

phenyl N-methylbenzenecarboximidoselenoate (PubChem CID 12557552) has the molecular formula C14H13NSe and a molecular weight of 274.23 g/mol. Its IUPAC name is phenyl N-methylbenzenecarboximidoselenoate.

Molecular Properties

Compound Namephenyl N-methylbenzenecarboximidoselenoate
PubChem CID12557552
Molecular FormulaC14H13NSe
Molecular Weight274.23 g/mol
Exact Mass275.02
IUPAC Namephenyl N-methylbenzenecarboximidoselenoate
SMILESC/N=C(/[Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NSe/c1-15-14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3/b15-14+
InChIKeySFXJWNANUJFJAZ-CCEZHUSRSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde azine
CID 5324610
Benzalazine
CID 92130
[(Diphenylmethylene)amino]acetonitrile
CID 612957
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
1,2-Ethanediamine, N1,N2-bis(phenylmethylene)-
CID 66033
Ethanamine, N-(phenylmethylene)-
CID 111239
N-benzylidene-2-phenylethanamine
CID 576350
N-methyl-alpha-phenylnitrone
CID 819870
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
N-(diphenylethenylidene)methanamine
CID 596917
Cyanamide, (diphenylmethylene)-
CID 677486

Frequently Asked Questions

What is the IUPAC name of phenyl N-methylbenzenecarboximidoselenoate?
The IUPAC name of phenyl N-methylbenzenecarboximidoselenoate (CID 12557552) is phenyl N-methylbenzenecarboximidoselenoate.
What is the SMILES notation for phenyl N-methylbenzenecarboximidoselenoate?
The canonical SMILES for phenyl N-methylbenzenecarboximidoselenoate is C/N=C(/[Se]c1ccccc1)c1ccccc1.
What is the InChIKey of phenyl N-methylbenzenecarboximidoselenoate?
The InChIKey is SFXJWNANUJFJAZ-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H13NSe/c1-15-14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3/b15-14+.
What are the key properties of phenyl N-methylbenzenecarboximidoselenoate?
phenyl N-methylbenzenecarboximidoselenoate has a molecular weight of 274.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methylbenzenecarboximidoselenoate is sourced from PubChem (CID 12557552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).